methyl 2-[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(C)CC3=CN(N=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(C)CC3=CN(N=C3C)C

InChI

InChI=1S/C22H26N4O3S/c1-14-6-8-16(9-7-14)18-13-30-21(20(18)22(28)29-5)23-19(27)12-25(3)10-17-11-26(4)24-15(17)2/h6-9,11,13H,10,12H2,1-5H3,(H,23,27)